HEADER PROTEIN 19-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 19-JUN-21 0 HETATM 1 C UNK 0 3.163 -1.588 -2.094 0.00 0.00 C+0 HETATM 2 C UNK 0 2.587 -0.985 -1.038 0.00 0.00 C+0 HETATM 3 C UNK 0 2.411 -1.713 0.313 0.00 0.00 C+0 HETATM 4 C UNK 0 3.575 -1.460 1.412 0.00 0.00 C+0 HETATM 5 C UNK 0 4.916 -1.125 0.705 0.00 0.00 C+0 HETATM 6 C UNK 0 3.230 -0.224 2.230 0.00 0.00 C+0 HETATM 7 C UNK 0 3.033 -0.167 3.551 0.00 0.00 C+0 HETATM 8 C UNK 0 3.240 -1.360 4.389 0.00 0.00 C+0 HETATM 9 O UNK 0 2.737 -1.382 5.511 0.00 0.00 O+0 HETATM 10 C UNK 0 4.145 -2.466 3.841 0.00 0.00 C+0 HETATM 11 C UNK 0 3.937 -3.720 4.727 0.00 0.00 C+0 HETATM 12 C UNK 0 5.602 -2.005 4.028 0.00 0.00 C+0 HETATM 13 C UNK 0 3.748 -2.768 2.344 0.00 0.00 C+0 HETATM 14 C UNK 0 4.660 -3.876 1.736 0.00 0.00 C+0 HETATM 15 C UNK 0 4.045 -4.627 0.582 0.00 0.00 C+0 HETATM 16 O UNK 0 4.464 -4.585 -0.566 0.00 0.00 O+0 HETATM 17 O UNK 0 2.966 -5.342 1.003 0.00 0.00 O+0 HETATM 18 C UNK 0 2.311 -6.077 -0.032 0.00 0.00 C+0 HETATM 19 C UNK 0 0.903 -1.582 0.804 0.00 0.00 C+0 HETATM 20 O UNK 0 0.797 -1.981 2.190 0.00 0.00 O+0 HETATM 21 C UNK 0 -0.264 -2.748 2.555 0.00 0.00 C+0 HETATM 22 C UNK 0 -0.232 -3.005 4.029 0.00 0.00 C+0 HETATM 23 O UNK 0 -1.123 -3.178 1.798 0.00 0.00 O+0 HETATM 24 C UNK 0 0.251 -0.164 0.624 0.00 0.00 C+0 HETATM 25 O UNK 0 -1.178 -0.259 0.850 0.00 0.00 O+0 HETATM 26 C UNK 0 -1.646 0.110 2.072 0.00 0.00 C+0 HETATM 27 C UNK 0 -3.124 -0.119 2.147 0.00 0.00 C+0 HETATM 28 O UNK 0 -0.968 0.556 2.985 0.00 0.00 O+0 HETATM 29 C UNK 0 0.467 0.386 -0.808 0.00 0.00 C+0 HETATM 30 C UNK 0 -0.295 -0.462 -1.861 0.00 0.00 C+0 HETATM 31 C UNK 0 0.133 1.922 -0.987 0.00 0.00 C+0 HETATM 32 C UNK 0 -1.301 2.352 -1.116 0.00 0.00 C+0 HETATM 33 C UNK 0 -2.032 2.850 -0.117 0.00 0.00 C+0 HETATM 34 C UNK 0 -3.359 3.128 -0.654 0.00 0.00 C+0 HETATM 35 O UNK 0 -4.297 3.545 -0.000 0.00 0.00 O+0 HETATM 36 O UNK 0 -3.387 2.815 -1.973 0.00 0.00 O+0 HETATM 37 C UNK 0 -2.106 2.344 -2.360 0.00 0.00 C+0 HETATM 38 O UNK 0 -1.546 3.238 -3.295 0.00 0.00 O+0 HETATM 39 C UNK 0 1.086 2.351 -2.147 0.00 0.00 C+0 HETATM 40 C UNK 0 2.313 1.503 -1.936 0.00 0.00 C+0 HETATM 41 O UNK 0 2.732 1.464 -0.579 0.00 0.00 O+0 HETATM 42 C UNK 0 1.968 0.339 -1.079 0.00 0.00 C+0 HETATM 43 H UNK 0 3.248 -1.091 -3.055 0.00 0.00 H+0 HETATM 44 H UNK 0 3.576 -2.591 -2.030 0.00 0.00 H+0 HETATM 45 H UNK 0 2.491 -2.777 0.071 0.00 0.00 H+0 HETATM 46 H UNK 0 5.179 -1.873 -0.050 0.00 0.00 H+0 HETATM 47 H UNK 0 5.751 -1.068 1.408 0.00 0.00 H+0 HETATM 48 H UNK 0 4.883 -0.155 0.196 0.00 0.00 H+0 HETATM 49 H UNK 0 3.105 0.710 1.686 0.00 0.00 H+0 HETATM 50 H UNK 0 2.722 0.739 4.057 0.00 0.00 H+0 HETATM 51 H UNK 0 2.935 -4.140 4.590 0.00 0.00 H+0 HETATM 52 H UNK 0 4.044 -3.483 5.792 0.00 0.00 H+0 HETATM 53 H UNK 0 4.668 -4.507 4.517 0.00 0.00 H+0 HETATM 54 H UNK 0 6.314 -2.732 3.625 0.00 0.00 H+0 HETATM 55 H UNK 0 5.798 -1.036 3.561 0.00 0.00 H+0 HETATM 56 H UNK 0 5.833 -1.878 5.093 0.00 0.00 H+0 HETATM 57 H UNK 0 2.752 -3.219 2.415 0.00 0.00 H+0 HETATM 58 H UNK 0 5.632 -3.483 1.422 0.00 0.00 H+0 HETATM 59 H UNK 0 4.905 -4.649 2.471 0.00 0.00 H+0 HETATM 60 H UNK 0 2.992 -6.814 -0.468 0.00 0.00 H+0 HETATM 61 H UNK 0 1.464 -6.606 0.412 0.00 0.00 H+0 HETATM 62 H UNK 0 1.930 -5.397 -0.801 0.00 0.00 H+0 HETATM 63 H UNK 0 0.325 -2.292 0.198 0.00 0.00 H+0 HETATM 64 H UNK 0 0.580 -3.695 4.266 0.00 0.00 H+0 HETATM 65 H UNK 0 -1.181 -3.451 4.339 0.00 0.00 H+0 HETATM 66 H UNK 0 -0.108 -2.063 4.570 0.00 0.00 H+0 HETATM 67 H UNK 0 0.695 0.529 1.347 0.00 0.00 H+0 HETATM 68 H UNK 0 -3.627 0.417 1.337 0.00 0.00 H+0 HETATM 69 H UNK 0 -3.337 -1.189 2.088 0.00 0.00 H+0 HETATM 70 H UNK 0 -3.502 0.264 3.099 0.00 0.00 H+0 HETATM 71 H UNK 0 -1.374 -0.465 -1.676 0.00 0.00 H+0 HETATM 72 H UNK 0 0.025 -1.508 -1.868 0.00 0.00 H+0 HETATM 73 H UNK 0 -0.128 -0.088 -2.878 0.00 0.00 H+0 HETATM 74 H UNK 0 0.517 2.429 -0.086 0.00 0.00 H+0 HETATM 75 H UNK 0 -1.761 3.023 0.910 0.00 0.00 H+0 HETATM 76 H UNK 0 -2.205 1.351 -2.804 0.00 0.00 H+0 HETATM 77 H UNK 0 -2.140 3.203 -4.064 0.00 0.00 H+0 HETATM 78 H UNK 0 1.322 3.418 -2.096 0.00 0.00 H+0 HETATM 79 H UNK 0 0.672 2.126 -3.134 0.00 0.00 H+0 HETATM 80 H UNK 0 3.037 1.463 -2.730 0.00 0.00 H+0 CONECT 1 2 43 44 CONECT 2 1 3 42 CONECT 3 4 2 19 45 CONECT 4 5 3 6 13 CONECT 5 4 46 47 48 CONECT 6 7 4 49 CONECT 7 8 6 50 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 11 12 8 13 CONECT 11 10 51 52 53 CONECT 12 10 54 55 56 CONECT 13 14 57 10 4 CONECT 14 13 15 58 59 CONECT 15 14 17 16 CONECT 16 15 CONECT 17 15 18 CONECT 18 17 60 61 62 CONECT 19 3 24 20 63 CONECT 20 19 21 CONECT 21 20 22 23 CONECT 22 21 64 65 66 CONECT 23 21 CONECT 24 25 29 19 67 CONECT 25 24 26 CONECT 26 25 27 28 CONECT 27 26 68 69 70 CONECT 28 26 CONECT 29 31 30 24 42 CONECT 30 29 71 72 73 CONECT 31 39 29 32 74 CONECT 32 33 31 37 CONECT 33 34 32 75 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 37 34 CONECT 37 32 36 38 76 CONECT 38 37 77 CONECT 39 31 40 78 79 CONECT 40 41 42 39 80 CONECT 41 42 40 CONECT 42 41 2 29 40 CONECT 43 1 CONECT 44 1 CONECT 45 3 CONECT 46 5 CONECT 47 5 CONECT 48 5 CONECT 49 6 CONECT 50 7 CONECT 51 11 CONECT 52 11 CONECT 53 11 CONECT 54 12 CONECT 55 12 CONECT 56 12 CONECT 57 13 CONECT 58 14 CONECT 59 14 CONECT 60 18 CONECT 61 18 CONECT 62 18 CONECT 63 19 CONECT 64 22 CONECT 65 22 CONECT 66 22 CONECT 67 24 CONECT 68 27 CONECT 69 27 CONECT 70 27 CONECT 71 30 CONECT 72 30 CONECT 73 30 CONECT 74 31 CONECT 75 33 CONECT 76 37 CONECT 77 38 CONECT 78 39 CONECT 79 39 CONECT 80 40 MASTER 0 0 0 0 0 0 0 0 80 0 168 0 END